[6-[(3-chlorophenyl)carbonylamino]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid

Systemtic Name: [6-[(3-chlorophenyl)carbonylamino]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid Openeye Name: [6-[(3-chlorobenzoyl)amino]-1-hydroxy-1-phosphono-hexyl]phosphonic acid CAS Name: [6-[[(3-chlorophenyl)-oxomethyl]amino]-1-hydroxy-1-phosphonohexyl]phosphonic acid IUPAC Name: [6-[(3-chlorobenzoyl)amino]-1-hydroxy-1-phosphonohexyl]phosphonic acid Traditional Name: [6-[(3-chlorobenzoyl)amino]-1-hydroxy-1-phosphono-hexyl]phosphonic acid Formula: C13H20ClNO8P2 MolecularWeight: 415.700322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H20ClNO8P2/c14-11-6-4-5-10(9-11)12(16)15-8-3-1-2-7-13(17,24(18,19)20)25(21,22)23/h4-6,9,17H,1-3,7-8H2,(H,15,16)(H2,18,19,20)(H2,21,22,23)